Compound Detail
CHEMBL212479
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Basic Information
| ChEMBL ID | CHEMBL212479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWZNBODXISXXAG-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
5
PK Parameters
4
Publications
0
Known Names
Molecular Properties
345.8
MW (Da)
2.56
ALogP
5
HBA
2
HBD
70.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 6.8 | 5.6 | 160.0 | 2 |
| Beta-TC3 CHEMBL614063 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
| Sulfonylurea receptor 1, Kir6.2 CHEMBL2096972 | EC50 | 6.28 | 6.28 | 530.0 | 1 |
| Beta-TC6 CHEMBL614357 | EC50 | 5.85 | 5.85 | 1400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 5.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 1541.58 | nM | Rattus norvegicus |
| F | 70.0 | % | Rattus norvegicus |
| T1/2 | 5.5 | hr | Rattus norvegicus |
| Tmax | 0.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 160.0 | nM | 6.8 | Inhibition of glucose-stimulated insulin release in Wistar rat islets | 16821773 |
| Beta-TC3 | EC50 | = | 400.0 | nM | 6.4 | Repolarization of beta-TC3 cells | 16821773 |
| Sulfonylurea receptor 1, Kir6.2 | EC50 | = | 530.0 | nM | 6.28 | Repolarization of HEK293 cells expressing Kir6.2/SUR1 KATP channels | 16821773 |
| Beta-TC6 | EC50 | = | 1400.0 | nM | 5.85 | Inhibition of glucose-stimulated insulin release in betaTC6 cells | 16821773 |
| Rattus norvegicus | EC50 | = | 40000.0 | nM | 4.4 | Relaxation of precontracted Wistar rat aorta rings | 16821773 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16821773 | 10.1021/jm060042j | Rattus norvegicus | 9 |
| 16821773 | 10.1021/jm060042j | Beta-TC6 | 2 |
| 16821773 | 10.1021/jm060042j | Sulfonylurea receptor 1, Kir6.2 | 1 |
| 16821773 | 10.1021/jm060042j | Beta-TC3 | 1 |
Data from ChEMBL 36 via Core Engine